SCHEMBL19074292

SCHEMBL19074292

CCCCN1c2cc(C#Cc3ccc(-c4ccc(-c5cccs5)s4)s3)ccc2C2c3ccc(C#Cc4ccc(-c5ccc(-c6cccs6)s5)s4)cc3N(CCCC)C21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15024908 0.74 ALDH1A1 (0.35) DPP4KDM4EALDH1A1POLBPKM
SCHEMBL12964715 0.68 DPP4 (0.52) DPP4KDM4EALDH1A1POLBALOX15
SCHEMBL498743 0.67 ADORA3 (0.46) DPP4KDM4EALDH1A1
SCHEMBL12964717 0.67 LTA4H (0.50) DPP4KDM4EALDH1A1POLBALOX15
SCHEMBL20402219 0.66 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL498576 0.65 ADORA3 (0.44) DPP4KDM4EALDH1A1
SCHEMBL15180626 0.64 DPP4 (0.35) DPP4KDM4EALDH1A1POLBCASP1
SCHEMBL18674375 0.63 GRM5 (0.38) DPP4KDM4EALDH1A1PKM
SCHEMBL17521787 0.63 KDM4E (0.33) DPP4KDM4EALDH1A1
SCHEMBL499299 0.61 ALDH1A1 (0.46) DPP4KDM4EALDH1A1POLBALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2617724-B1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2017-07-05 — — EP disclosed
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